General Information of the Compound
Compound ID |
CP0054852
|
||||||||||||||||||
---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
Compound Name |
1-(2-aminoethyl)-2-piperidin-4-ylbenzimidazole-5-carboxamide
Show/Hide
|
||||||||||||||||||
Structure |
|
||||||||||||||||||
Formula |
C15H21N5O
|
||||||||||||||||||
Molecular Weight |
287.367
|
||||||||||||||||||
Canonical SMILES |
NCCn1c(nc2cc(ccc12)C(N)=O)C1CCNCC1
Show/Hide
|
||||||||||||||||||
InChI |
InChI=1S/C15H21N5O/c16-5-8-20-13-2-1-11(14(17)21)9-12(13)19-15(20)10-3-6-18-7-4-10/h1-2,9-10,18H,3-8,16H2,(H2,17,21)
Show/Hide
|
||||||||||||||||||
InChIKey |
XMMZUEFCWDQOPI-UHFFFAOYSA-N
|
||||||||||||||||||
Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
PubChem ID | |||||||||||||||||||
ChEMBL ID |